CAS 265121-04-8 appears in our catalog under these names: Fosaprepitant Dimeglumine, Fosaprepitant Dimeglumine, >95% (HPLC), Fosaprepitant dimeglumine/ 97.39% (existing batch purity), Fosaprepitant dimeglumine salt, 1-Deoxy-1-(methylamino)-D-glucitol (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)m ethyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)phosphonate. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 100mg, 10mg, 25mg, 5mg, 50mg, 10mM (in 1ml dmso), 250mg.
Fosaprepitant dimeglumine is an organoammonium salt obtained by reaction of fosaprepitant with two equivalents of 1-deoxy-1-(methylamino)-D-glucitol. A substance P/neurokinin 1 (NK1) receptor antagonist. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting and postoperative nausea and vomiting. It has a role as a prodrug, an antiemetic and a neurokinin-1 receptor antagonist. It contains a fosaprepitant(2-).
Source: ChEBI
| Molecular formula | C37H56F7N6O16P |
|---|---|
| Molecular weight | 1004.8 g/mol |
| IUPAC name | [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) |
| InChIKey | VRQHBYGYXDWZDL-OOZCZQCLSA-N |
| SMILES | C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
Computed by PubChem (NCBI)